! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
O    0.8908158742   0.3339065534  -0.8469574344
O   -5.5035167599  -0.8156214610   0.0689498385
O    2.0980783746   0.9469975678   0.9626698666
O   -3.4196149159  -1.6470749696  -0.0698497091
N   -3.8316570492   0.6049368153  -0.0086504682
N    2.9565964639  -0.3914946161  -0.6836970006
C   -2.5600635678   1.1640084787  -0.1111082409
C   -0.1962245511   1.1036085109  -0.4924888989
C   -1.4014029937   0.4317642768  -0.3677521110
C   -2.4706983736   2.5501645627   0.0347368939
C   -0.0921175421   2.4773134968  -0.3610754706
C   -1.2510772869   3.1892951533  -0.0902878868
C    4.2594009738  -0.6188218570  -0.2207240577
C    4.8828217110  -1.8015991386  -0.6163295254
C    4.9625822816   0.2982011194   0.5581899586
C    2.0051678756   0.3547662896  -0.0819924777
C   -4.1805648036  -0.7082196949  -0.0105719126
C    6.1898210190  -2.0649413524  -0.2408899262
C    6.2678239923   0.0166564345   0.9361768851
C    6.8905464889  -1.1588800218   0.5428849223
C   -6.0622131837  -2.1372717656   0.0990004825
C   -7.5629699449  -1.9966515369   0.0807098710
H   -1.4207899804  -0.6396162893  -0.4905358478
H   -3.3621898097   3.1308190956   0.2387780703
H    0.8526842932   2.9889505702  -0.4807178165
H   -1.2028555689   4.2644431570   0.0194584419
H   -4.5894989732   1.2644668276   0.0881566059
H    2.6781079466  -0.9065874451  -1.5065070927
H    4.3416239724  -2.5190640418  -1.2217654085
H    4.5154987756   1.2327235833   0.8608688398
H    6.6574039551  -2.9874206423  -0.5597916240
H    6.8047377009   0.7381171528   1.5384910750
H    7.9105822770  -1.3642279886   0.8394182390
H   -5.7302061255  -2.6561945011   1.0008780359
H   -5.7178248053  -2.7073168902  -0.7659883384
H   -7.9107412290  -1.5061098345  -0.8290094083
H   -7.9287064626  -1.4355632930   0.9412402187
H   -8.0132369618  -2.9887641737   0.1157013591
*